NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.2828 8.0433 122.7460 54.9790 44.0002 174.9908 2 Q 4.9121 8.3974 124.5684 52.3482 31.3341 173.0698 3 I 4.5468 8.9799 117.3901 58.9942 42.2537 173.6434 4 F 5.4407 8.6569 120.9888 55.7349 42.2171 174.8206 5 V 4.8833 8.7778 121.7488 61.1174 34.6112 174.2602 6 K 4.9409 8.9422 128.0502 55.6085 33.8615 177.4011 7 T 4.7501 8.6421 116.0684 60.2852 70.5434 175.4304 8 L 4.0661 8.4001 120.5136 57.4518 41.5702 178.2641 9 T 4.2064 7.6511 107.2299 61.3366 69.2015 175.8008 10 G 3.9264 8.1210 111.0954 45.0005 0.0000 173.9310 11 K 3.9541 7.6091 121.7192 56.9028 32.7145 175.2315 12 T 5.0219 8.3544 122.6152 62.2541 69.8267 174.0572 13 I 4.6957 8.9000 119.8355 59.4065 41.0064 174.3581 14 T 5.1460 8.5344 119.5819 61.9331 70.9149 173.5927 15 L 4.8353 8.7136 125.1447 52.8367 45.6851 174.8340 16 E 4.9456 8.6542 122.7194 54.9025 30.8785 175.2906 17 V 4.7010 8.6066 119.3040 59.9204 36.3280 174.5586 18 E 4.5287 9.2736 121.6189 54.4309 31.2986 176.0023 19 P 4.1239 0.0000 0.0000 65.5297 31.5617 178.1682 20 S 4.5080 7.8086 111.2783 58.0354 63.2407 173.8211 21 D 4.4333 8.0221 122.4242 54.7689 41.2592 176.5921 22 T 4.6902 8.2316 113.4542 61.3243 71.1875 175.8959 23 I 3.7200 8.3971 123.1901 64.4222 37.0847 178.2802 24 E 3.9219 8.3493 120.2445 59.6016 29.5264 178.7759 25 N 4.3398 8.1790 116.2750 56.3066 38.5061 177.6216 26 V 3.6070 7.8772 119.6968 65.9191 31.5543 178.2587 27 K 4.3062 8.7099 119.7414 58.8389 31.8185 179.1855 28 A 3.9895 8.0188 121.1598 55.0732 18.2793 179.8822 29 K 3.9741 7.9842 116.6153 59.5572 32.0002 179.7453 30 I 3.7267 8.0330 120.4117 64.3083 36.9830 178.1500 31 Q 4.1518 8.2073 121.9243 58.8286 28.6222 178.2525 32 D 4.4111 7.8966 118.9618 57.1573 40.9043 178.6392 33 K 4.1773 7.9416 118.2758 58.7342 32.2787 178.3404 34 E 4.6708 8.4123 115.3179 55.0092 31.1889 177.1562 35 G 3.8771 8.3178 107.1896 45.5936 0.0000 173.1558 36 I 4.1618 7.3920 121.1043 59.0584 38.1121 173.7013 37 P 4.4506 0.0000 0.0000 61.9015 32.1308 175.3610 38 P 4.2018 0.0000 0.0000 65.9193 31.3131 177.6199 39 D 4.6051 8.0338 113.9783 54.4764 39.6626 176.4426 40 Q 4.4328 8.0234 118.3252 56.0024 29.6661 175.4446 41 Q 4.4625 7.8566 118.7634 54.7781 30.1140 174.5869 42 R 4.7384 8.2960 121.0943 54.6138 33.8872 173.3999 43 L 5.3190 8.5900 124.9721 53.0132 45.3218 175.3007 44 I 5.0840 8.7727 123.1696 59.4660 41.1394 174.3618 45 F 5.0328 8.5992 126.8655 56.6603 42.3850 174.6713 46 A 3.5204 9.3681 129.9404 53.1636 15.7964 177.6507 47 G 3.8760 8.2306 106.3281 46.5375 0.0000 173.9828 48 K 4.4131 7.9281 120.7525 54.6133 33.3939 175.4528 49 Q 4.4320 8.5569 125.6037 55.9590 29.6593 174.9575 50 L 4.0659 8.4026 126.9637 53.7531 43.1465 175.8612 51 E 4.6396 9.2909 123.2468 54.6857 31.4400 176.8738 52 D 4.3521 9.1203 123.9881 57.4834 41.0556 178.3567 53 G 3.9620 8.0339 104.2951 45.6786 0.0000 173.1614 54 R 4.6335 7.9324 120.1223 55.0288 33.0581 175.3885 55 T 4.9416 8.5582 110.5960 60.1425 71.4408 175.7574 56 L 4.0568 8.7008 122.2360 58.2376 42.1304 180.1940 57 S 4.1261 8.3309 113.3713 61.1343 62.5818 175.8285 58 D 4.2510 7.7126 119.2975 56.9557 40.5004 176.6851 59 Y 4.6039 7.4084 113.4285 56.9645 38.0823 174.7560 60 N 4.1955 7.9242 117.2197 54.4603 37.9974 174.0554 61 I 3.4279 7.5920 117.2471 60.4460 37.9776 175.6451 62 Q 4.6759 8.5415 124.4382 53.2699 32.3013 174.3511 63 K 4.1077 8.5060 117.4084 59.1281 32.4792 176.4464 64 E 3.5034 8.9889 121.2596 56.8433 27.8224 174.7561 65 S 4.5022 7.8570 115.5934 59.3523 64.1916 173.3394 66 T 5.1181 8.7350 118.9460 62.0392 70.4854 173.7681 67 L 4.9681 9.0750 126.6453 53.5674 44.8771 175.0768 68 H 5.2699 8.9251 118.0530 53.9749 31.8375 173.3577 69 L 4.7221 8.7233 123.8683 54.7918 42.2307 176.7272 70 V 4.6014 8.5487 115.6131 59.0267 36.1126 175.8852 71 L 4.1492 8.4061 120.3956 55.3083 41.5090 177.4036 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 L 8.04 4.28 0.00 1.74 1.76 0.88 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 2 Q 8.40 4.91 0.00 1.96 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.61 0.00 0.00 0.00 0.00 0.00 2.25 2.47 0.00 3 I 8.98 4.55 1.70 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.63 0.74 0.00 0.00 4 F 8.66 5.44 0.00 3.07 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.78 4.88 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.93 0.00 0.00 6 K 8.94 4.94 0.00 1.76 1.75 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.56 7.81 7 T 8.64 4.75 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 8 L 8.40 4.07 0.00 1.66 1.78 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.65 4.21 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 10 G 8.12 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.61 3.95 0.00 1.80 1.70 0.00 1.63 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.42 7.81 12 T 8.35 5.02 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 13 I 8.90 4.70 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.75 0.96 0.00 0.00 14 T 8.53 5.15 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 15 L 8.71 4.84 0.00 1.49 1.47 0.90 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.65 4.95 0.00 1.91 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.34 0.00 17 V 8.61 4.70 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.92 0.00 0.00 18 E 9.27 4.53 0.00 1.87 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 19 P 0.00 4.12 0.00 2.15 2.08 0.00 3.55 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 20 S 7.81 4.51 0.00 3.83 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.02 4.43 0.00 2.86 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.23 4.69 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 23 I 8.40 3.72 2.19 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.14 0.91 0.00 0.00 24 E 8.35 3.92 0.00 2.26 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 25 N 8.18 4.34 0.00 2.98 2.84 0.00 0.00 6.71 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.88 3.61 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.96 0.00 0.00 27 K 8.71 4.31 0.00 2.00 1.85 0.00 1.82 0.00 0.00 1.87 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.60 1.50 7.81 28 A 8.02 3.99 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.98 3.97 0.00 1.98 1.86 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.60 7.81 30 I 8.03 3.73 2.14 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.85 0.92 0.00 0.00 31 Q 8.21 4.15 0.00 2.26 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 32 D 7.90 4.41 0.00 2.86 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.94 4.18 0.00 1.90 1.87 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.57 1.63 7.81 34 E 8.41 4.67 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.43 0.00 35 G 8.32 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.39 4.16 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.16 0.91 0.00 0.00 37 P 0.00 4.45 0.00 2.26 1.97 0.00 3.63 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.11 0.00 38 P 0.00 4.20 0.00 2.17 2.13 0.00 3.59 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 39 D 8.03 4.61 0.00 2.79 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.02 4.43 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 41 Q 7.86 4.46 0.00 2.27 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 42 R 8.30 4.74 0.00 1.83 1.91 0.00 3.11 0.00 0.00 3.53 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 43 L 8.59 5.32 0.00 1.56 1.47 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.77 5.08 1.91 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.12 0.94 0.00 0.00 45 F 8.60 5.03 0.00 2.98 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 9.37 3.52 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.23 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.93 4.41 0.00 1.93 1.79 0.00 1.85 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.42 1.60 7.81 49 Q 8.56 4.43 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 50 L 8.40 4.07 0.00 1.43 1.25 0.76 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.29 4.64 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 52 D 9.12 4.35 0.00 2.76 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.03 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.93 4.63 0.00 2.06 1.76 0.00 3.04 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 55 T 8.56 4.94 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 56 L 8.70 4.06 0.00 1.80 1.69 0.86 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.33 4.13 0.00 3.93 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 7.71 4.25 0.00 2.52 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 7.41 4.60 0.00 3.22 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 N 7.92 4.20 0.00 2.95 3.02 0.00 0.00 7.14 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 I 7.59 3.43 1.80 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.01 0.57 0.00 0.00 62 Q 8.54 4.68 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.95 0.00 0.00 0.00 0.00 0.00 2.25 2.47 0.00 63 K 8.51 4.11 0.00 1.82 1.80 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.48 7.81 64 E 8.99 3.50 0.00 2.20 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.25 0.00 65 S 7.86 4.50 0.00 3.66 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.73 5.12 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 67 L 9.07 4.97 0.00 1.54 1.57 0.85 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.93 5.27 0.00 3.05 3.18 0.00 5.61 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.72 4.72 0.00 1.66 1.61 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.55 4.60 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.99 0.00 0.00 71 L 8.41 4.15 0.00 1.63 1.58 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00